basic_info |
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Product_Name: | 5'-O-DMT-O6-DIPHENYLCARBONYL-N2-ISOBUTYRYL-1-(B-D-ARABINOFURANOSYL) GUANINE |
EnglishSynonyms: | 5'-O-DMT-O6-DIPHENYLCARBONYL-N2-ISOBUTYRYL-1-(B-D-ARABINOFURANOSYL) GUANINE |
pro_mdlNumber: | MFCD22124285 |
pro_acceptors: | 14 |
pro_donors: | 3 |
pro_smile: | CC(C)C(=O)Nc1nc2c(c(n1)OC(=O)c3ccc(cc3)c4ccccc4)ncn2[C@H]5[C@H]([C@@H]([C@H](O5)COC(c6ccccc6)(c7ccc(cc7)OC)c8ccc(cc8)OC)O)O |
InChi: | InChI=1S/C48H45N5O9/c1-29(2)43(56)51-47-50-42-39(44(52-47)62-46(57)32-17-15-31(16-18-32)30-11-7-5-8-12-30)49-28-53(42)45-41(55)40(54)38(61-45)27-60-48(33-13-9-6-10-14-33,34-19-23-36(58-3)24-20-34)35-21-25-37(59-4)26-22-35/h5-26,28-29,38,40-41,45,54-55H,27H2,1-4H3,(H,50,51,52,56)/t38-,40-,41+,45-/m1/s1 |
InChiKey: | InChIKey=RDTKKIGHQVZBFM-HKDNAQCPSA-N |
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